1-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol

C14H22FNO2 — CID 111565148

IUPAC1-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol
SMILESCc1cc(F)ccc1C(O)CN(C)CC(C)(C)O
InChIInChI=1S/C14H22FNO2/c1-10-7-11(15)5-6-12(10)13(17)8-16(4)9-14(2,3)18/h5-7,13,17-18H,8-9H2,1-4H3
InChIKeyDYFXSWCCQQPORJ-UHFFFAOYSA-N
MW255.33 g/mol
LogP1.87
Rot. Bonds5

About 1-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol

1-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol (PubChem CID 111565148) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 1-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol
PubChem CID111565148
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name1-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol
SMILESCc1cc(F)ccc1C(O)CN(C)CC(C)(C)O
InChIInChI=1S/C14H22FNO2/c1-10-7-11(15)5-6-12(10)13(17)8-16(4)9-14(2,3)18/h5-7,13,17-18H,8-9H2,1-4H3
InChIKeyDYFXSWCCQQPORJ-UHFFFAOYSA-N
XLogP1.87
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]acetamide
CID 111564900
2-[cyclobutylmethyl(methyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565104
1-(4-fluoro-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol
CID 111564990
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
3-(dimethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115345951
2-[(6-chloro-3-pyridinyl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 111757482
4-fluoro-N-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylbenzenesulfonamide
CID 109411515
2-(4-tert-butylphenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 65150242
2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 110009988
1-(4-fluoro-2-methylphenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanol
CID 111565172
3-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-(2-hydroxyethyl)amino]propan-1-ol
CID 111565095
bis(4-fluoro-2-methylphenyl)methanol
CID 14371387

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol (CID 111565148) is 1-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol is Cc1cc(F)ccc1C(O)CN(C)CC(C)(C)O.
What is the InChIKey of 1-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol?
The InChIKey is DYFXSWCCQQPORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-10-7-11(15)5-6-12(10)13(17)8-16(4)9-14(2,3)18/h5-7,13,17-18H,8-9H2,1-4H3.
What are the key properties of 1-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol?
1-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol has a molecular weight of 255.33 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 111565148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).